N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C19H18F3N7O — CID 167751484

IUPACN-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cncn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)14-5-6-17(24-11-14)27-7-9-28(10-8-27)18(30)26-15-3-1-2-4-16(15)29-13-23-12-25-29/h1-6,11-13H,7-10H2,(H,26,30)
InChIKeyJKODYTXSHTUQAH-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.04
Rot. Bonds3

About N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 167751484) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID167751484
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC NameN-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cncn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H18F3N7O/c20-19(21,22)14-5-6-17(24-11-14)27-7-9-28(10-8-27)18(30)26-15-3-1-2-4-16(15)29-13-23-12-25-29/h1-6,11-13H,7-10H2,(H,26,30)
InChIKeyJKODYTXSHTUQAH-UHFFFAOYSA-N
XLogP3.04
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 26653227
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55695316
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90600766
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607
imidazol-1-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4784723
(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 31203885
N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 90627085
2,2,3,3,4,4,4-heptafluoro-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 4530139

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 167751484) is N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccccc1-n1cncn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is JKODYTXSHTUQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c20-19(21,22)14-5-6-17(24-11-14)27-7-9-28(10-8-27)18(30)26-15-3-1-2-4-16(15)29-13-23-12-25-29/h1-6,11-13H,7-10H2,(H,26,30).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 167751484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).